Geometry & MOs

Info

ID:	236722
PubChem CID:	92714569
Reduced:	ClO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	333.12774
ΔH_f, kcal/mol:	14.05
Dipole, Da:	2.46
IP(EA), eV:	-8.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(4-fluoro-2-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations